3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline

C19H18ClN5O — CID 118452471

IUPAC3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline
SMILESCCCc1ccc(NCc2ccc3oc(-c4nn[nH]n4)cc3c2)cc1Cl
InChIInChI=1S/C19H18ClN5O/c1-2-3-13-5-6-15(10-16(13)20)21-11-12-4-7-17-14(8-12)9-18(26-17)19-22-24-25-23-19/h4-10,21H,2-3,11H2,1H3,(H,22,23,24,25)
InChIKeyORKCMRGWLBPGMX-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.83
Rot. Bonds6

About 3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline

3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline (PubChem CID 118452471) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline.

Molecular Properties

Compound Name3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline
PubChem CID118452471
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline
SMILESCCCc1ccc(NCc2ccc3oc(-c4nn[nH]n4)cc3c2)cc1Cl
InChIInChI=1S/C19H18ClN5O/c1-2-3-13-5-6-15(10-16(13)20)21-11-12-4-7-17-14(8-12)9-18(26-17)19-22-24-25-23-19/h4-10,21H,2-3,11H2,1H3,(H,22,23,24,25)
InChIKeyORKCMRGWLBPGMX-UHFFFAOYSA-N
XLogP4.83
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline
CID 118452539
N-[[5-chloro-2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-4-propyl-3-(trifluoromethyl)aniline
CID 118452651
3-chloro-N-[[6-chloro-2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]-4-(trifluoromethyl)aniline
CID 118452492
N-[[5-chloro-2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-4-ethoxy-3-(fluoromethyl)aniline
CID 118460914
1-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-2-(3,4,5-trichlorophenyl)hydrazine
CID 118452587
3-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methylamino]benzenethiol
CID 118466629
6-chloro-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-5-(trifluoromethyl)pyridin-3-amine
CID 118452445
5-[(3-fluoro-4-propylanilino)methyl]-1-benzofuran-2-carbonitrile
CID 118459250
2-chloro-5-[2-[5-chloro-2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]ethyl]pyridine;fluoroform
CID 158690519
4-ethoxy-N-[[5-fluoro-2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methyl]-3-(trifluoromethyl)aniline
CID 118452474
N-[[6-fluoro-2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]-4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)aniline
CID 118452488
5-[[5-bromo-2-(2H-tetrazol-5-yl)-1-benzofuran-6-yl]methylamino]-2-(difluoromethoxy)benzonitrile
CID 118452681

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline?
The IUPAC name of 3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline (CID 118452471) is 3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline.
What is the SMILES notation for 3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline?
The canonical SMILES for 3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline is CCCc1ccc(NCc2ccc3oc(-c4nn[nH]n4)cc3c2)cc1Cl.
What is the InChIKey of 3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline?
The InChIKey is ORKCMRGWLBPGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-2-3-13-5-6-15(10-16(13)20)21-11-12-4-7-17-14(8-12)9-18(26-17)19-22-24-25-23-19/h4-10,21H,2-3,11H2,1H3,(H,22,23,24,25).
What are the key properties of 3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline?
3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline has a molecular weight of 367.84 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-propyl-N-[[2-(2H-tetrazol-5-yl)-1-benzofuran-5-yl]methyl]aniline is sourced from PubChem (CID 118452471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).